ChemicalBook--->CAS DataBase List--->7336-33-6

7336-33-6

7336-33-6 Structure

7336-33-6 Structure
IdentificationBack Directory
[Name]

(-)-3-Demethylcolchicine
[CAS]

7336-33-6
[Synonyms]

3-Demethylcolchicine
O3-Demethylcolchicine
3-DesMethylcolchicine
3-O-Demethylcolchicine
(-)-3-Demethylcolchicine
Colchicine EP Impurity E
(-)-3-Demethylcolchicine
Colchicine 3-Demethyl Impurity
Colchicine Impurity 5(Colchicine EP Impurity E)
Colchicine EP Impurity E (3-O-Demethyl Colchicine)
(S)-7-Acetylamino-6,7-dihydro-3-hydroxy-1,2,10-trimethoxybenzo[a]heptalen-9(5H)-one
N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
(S)-N-(3-hydroxy-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
N-[(7S)-5,6,7,9-Tetrahydro-3-hydroxy-1,2,10-triMethoxy-9-oxobenzo[a]heptalen-7-yl]-acetaMide
Acetamide, N-[(7S)-5,6,7,9-tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl]-
N-[[(7S)-3-Hydroxy-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene]-7α-yl]acetamide
[Molecular Formula]

C21H23NO6
[MDL Number]

MFCD00866366
[MOL File]

7336-33-6.mol
[Molecular Weight]

385.41
Chemical PropertiesBack Directory
[Melting point ]

163-166°C
[Boiling point ]

768.3±60.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO : 100 mg/mL (259.46 mM; Need ultrasonic)
[form ]

A solid
[pka]

9.53±0.40(Predicted)
[color ]

White to yellow
[InChI]

InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
[InChIKey]

JRRUSQGIRBEMRN-HNNXBMFYSA-N
[SMILES]

C(N[C@@H]1C2C(C3=C(OC)C(OC)=C(O)C=C3CC1)=CC=C(OC)C(=O)C=2)(=O)C
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS08,GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H318-H330-H300-H340
[Precautionary statements ]

P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
[Toxicity]

LD50 intraperitoneal in mouse: 570ug/kg
Hazard InformationBack Directory
[Chemical Properties]

Yellow Solid
[Uses]

A metabolite of Colchicine (C640000). Has shown anti-tumor activity.
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-3-Demethylcolchicine(7336-33-6)1HNMR
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